Chem
J-GLOBAL ID：200907016522245295   Nikkaji number：J1.727.197K

2-O-β-D-Glucopyranosyldemethylalangiside

2-O-β-D-グルコピラノシルデメチルアランギシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H39NO15
Molecular formula furigana： C30-H39-N-O15
Molecular weight： 653.634
InChI： InChI=1S/C30H39NO15/c1-2-12-14-6-16-13-7-18(43-29-25(39)23(37)21(35)19(8-32)44-29)17(34)5-11(13)3-4-31(16)27(41)15(14)10-42-28(12)46-30-26(40)24(38)22(36)20(9-33)45-30/h2,5,7,10,12,14,16,19-26,28-30,32-40H,1,3-4,6,8-9H2/t12-,14+,16-,19-,20-,21-,22-,23+,24+,25-,26-,28+,29-,30+/m1/s1
InChI key： KGOGAQZTTUQNRT-HSQWGZBISA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@H]4N(CCc5cc(O)c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc45)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (11S)-12α-エテニル-2,11β-ビス(β-D-グルコピラノシルオキシ)-5,11,12,12aβ,13,13aβ-ヘキサヒドロ-3-ヒドロキシ-6H,8H-ベンゾ[a]ピラノ[3,4-g]キノリジン-8-オン
  • (3S,4R,4aS,5aR)-4-エテニル-8-ヒドロキシ-3,7-ビス({[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ})-3,4,4a,5,5a,10,11,13-オクタヒドロ-2-オキサ-12-アザテトラフェン-13-オン
  • (3S,4R,4aS,5aR)-4-ethenyl-8-hydroxy-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one
Other name (3)：
  • (11S)-12α-Ethenyl-2,11β-bis(β-D-glucopyranosyloxy)-5,11,12,12aβ,13,13aβ-hexahydro-3-hydroxy-6H,8H-benzo[a]pyrano[3,4-g]quinolizine-8-one
  • 2-O-β-D-グルコピラノシルデメチルアランギシド
  • 2-O-β-D-Glucopyranosyldemethylalangiside
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